With a variety of techniques available in the structure-based drug design toolbox, each with its own advantages and limitations, optimal drug design requires moving beyond single-technique approaches to cohesive, multi-modal design workflows. This workshop will provide attendees with practical insights into integrating multiple methods, including leveraging the strengths of X-ray crystallography, NMR, Cryo-EM, Cryo-ET, HDX-MS, and computational tools to optimize small molecules, biologics, and complex targets.

Highlights include:

Examine the strengths, limitations, and practical applications of each technique including X-ray crystallography, Cryo-EM, Cryo-ET, NMR, HDX-MS, and biophysical assays, for small molecule and biologics discovery

Learn strategies to integrate multiple structural and computational data sources, manage conformational heterogeneity, and balance experimental versus predictive insights

Explore real-world case studies demonstrating how multi-technique approaches accelerate hit-to-lead optimization, improve candidate selection, and inform beyond potency design

This session is ideal for structural biologists, computational chemists, medicinal chemists, and drug discovery scientists seeking to implement an integrative, technique-agnostic approach to make informed decisions in structure-based drug design.